2-(4-fluorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

C18H23FN4S — CID 53321790

IUPAC2-(4-fluorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESFc1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1
InChIInChI=1S/C18H23FN4S/c19-15-6-4-14(5-7-15)17-20-21-18(24-17)23-12-8-16(9-13-23)22-10-2-1-3-11-22/h4-7,16H,1-3,8-13H2
InChIKeyOXIOVAKICLOVIB-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.80
Rot. Bonds3

About 2-(4-fluorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

2-(4-fluorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 53321790) has the molecular formula C18H23FN4S and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID53321790
Molecular FormulaC18H23FN4S
Molecular Weight346.48 g/mol
Exact Mass346.16
IUPAC Name2-(4-fluorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESFc1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1
InChIInChI=1S/C18H23FN4S/c19-15-6-4-14(5-7-15)17-20-21-18(24-17)23-12-8-16(9-13-23)22-10-2-1-3-11-22/h4-7,16H,1-3,8-13H2
InChIKeyOXIOVAKICLOVIB-UHFFFAOYSA-N
XLogP3.80
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-(1,4''-Bipiperidin-1''-yl)-1,3,4-thiadiazol-2-yl)benzonitrile
CID 53320488
2-(1,4''-Bipiperidin-1''-yl)-5-o-tolyl-1,3,4-thiadiazole
CID 53320491
2-(1,4''-Bipiperidin-1''-yl)-5-phenyl-1,3,4-thiadiazole
CID 53321787
2-(1,4''-Bipiperidin-1''-yl)-5-(2-fluorophenyl)-1,3,4-thiadiazole
CID 53321789
2-(1,4''-Bipiperidin-1''-yl)-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 53325775
4-(5-(1,4''-Bipiperidin-1''-yl)-1,3,4-thiadiazol-2-yl)benzonitrile
CID 53325779
2-(1,4''-Bipiperidin-1''-yl)-5-(2-chlorophenyl)-1,3,4-thiadiazole
CID 53326914
Piperazine, 1-methyl-4-(5-phenyl-1,3,4-thiadiazol-2-yl)-
CID 1500024
3-[(2-Cyanoethyl)(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
CID 661530
2-(3-Methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53317857
2-(4-Methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53319171
5-[5-(4-Piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzene-1,3-dicarbonitrile
CID 53321788

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (CID 53321790) is 2-(4-fluorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is Fc1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is OXIOVAKICLOVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4S/c19-15-6-4-14(5-7-15)17-20-21-18(24-17)23-12-8-16(9-13-23)22-10-2-1-3-11-22/h4-7,16H,1-3,8-13H2.
What are the key properties of 2-(4-fluorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
2-(4-fluorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 346.48 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 53321790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).